methyl 2-(2-aminopropylamino)acetate

C6H14N2O2 — CID 54010376

IUPACmethyl 2-(2-aminopropylamino)acetate
SMILESCOC(=O)CNCC(C)N
InChIInChI=1S/C6H14N2O2/c1-5(7)3-8-4-6(9)10-2/h5,8H,3-4,7H2,1-2H3
InChIKeyKRXSAJSCMGPLBF-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.90
Rot. Bonds4

About methyl 2-(2-aminopropylamino)acetate

methyl 2-(2-aminopropylamino)acetate (PubChem CID 54010376) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 2-(2-aminopropylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-aminopropylamino)acetate
PubChem CID54010376
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namemethyl 2-(2-aminopropylamino)acetate
SMILESCOC(=O)CNCC(C)N
InChIInChI=1S/C6H14N2O2/c1-5(7)3-8-4-6(9)10-2/h5,8H,3-4,7H2,1-2H3
InChIKeyKRXSAJSCMGPLBF-UHFFFAOYSA-N
XLogP-0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminopropylamino)acetate?
The IUPAC name of methyl 2-(2-aminopropylamino)acetate (CID 54010376) is methyl 2-(2-aminopropylamino)acetate.
What is the SMILES notation for methyl 2-(2-aminopropylamino)acetate?
The canonical SMILES for methyl 2-(2-aminopropylamino)acetate is COC(=O)CNCC(C)N.
What is the InChIKey of methyl 2-(2-aminopropylamino)acetate?
The InChIKey is KRXSAJSCMGPLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(7)3-8-4-6(9)10-2/h5,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(2-aminopropylamino)acetate?
methyl 2-(2-aminopropylamino)acetate has a molecular weight of 146.19 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminopropylamino)acetate is sourced from PubChem (CID 54010376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).